3NQT

Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	30.963, 60.654, 38.553
Unit cell angles	90.00, 93.30, 90.00

Refinement procedure

Resolution	30.910 - 1.900
R-factor	0.1921
Rwork	0.186
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3BDC with all H2Os Ca2+ and THP removed and the following truncations: H8A T13A Q30A K64A V66A T82A Y113A V114A Y115A; all b-factors were reset to 20 A^2.
RMSD bond length	0.013
RMSD bond angle	1.459
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.3)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.061	0.038	0.303
Number of reflections	11275
<I/σ(I)>	16.8
Completeness [%]	99.5	93.6	100
Redundancy	7.1	6.8	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	28% MPD, 25 mM Potassium Phosphate, Calcium Chloride, pdTp, pH 7.0, vapor diffusion, hanging drop, temperature 277K